[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C54H52N4OPt — CID 169066650

IUPAC[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
SMILESCC1CCN(c2cc(C(C)(C)C)ccn2)c2cc(Oc3cc(-n4c(=[Pt])n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)cc(C(C)(C)C)c3)ccc21
InChIInChI=1S/C54H52N4O.Pt/c1-37-28-30-56(51-33-40(27-29-55-51)53(2,3)4)50-35-43(25-26-45(37)50)59-44-32-41(54(5,6)7)31-42(34-44)57-36-58(49-24-15-14-23-48(49)57)52-46(38-17-10-8-11-18-38)21-16-22-47(52)39-19-12-9-13-20-39;/h8-27,29,31-35,37H,28,30H2,1-7H3;
InChIKeyAUNOXTMYRLTTIZ-UHFFFAOYSA-N
MW968.12 g/mol
LogP14.26
Rot. Bonds7

About [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 169066650) has the molecular formula C54H52N4OPt and a molecular weight of 968.12 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
PubChem CID169066650
Molecular FormulaC54H52N4OPt
Molecular Weight968.12 g/mol
Exact Mass967.38
IUPAC Name[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
SMILESCC1CCN(c2cc(C(C)(C)C)ccn2)c2cc(Oc3cc(-n4c(=[Pt])n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)cc(C(C)(C)C)c3)ccc21
InChIInChI=1S/C54H52N4O.Pt/c1-37-28-30-56(51-33-40(27-29-55-51)53(2,3)4)50-35-43(25-26-45(37)50)59-44-32-41(54(5,6)7)31-42(34-44)57-36-58(49-24-15-14-23-48(49)57)52-46(38-17-10-8-11-18-38)21-16-22-47(52)39-19-12-9-13-20-39;/h8-27,29,31-35,37H,28,30H2,1-7H3;
InChIKeyAUNOXTMYRLTTIZ-UHFFFAOYSA-N
XLogP14.26
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.12
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum with MolForge

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Launch Full Analysis

Related Compounds

[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030595
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066515
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066649
[1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796671
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796851
[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030582
[1-[3-[[17,25-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15(20),16,18,23,25-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796644
[1-[3-[[10-(4-tert-butyl-2-pyridinyl)-10'-phenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796977
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066487
[1-[3-[[3,6-ditert-butyl-10'-(4-tert-butyl-2-pyridinyl)-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796969
[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066426
[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169066619

Frequently Asked Questions

What is the IUPAC name of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 169066650) is [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is CC1CCN(c2cc(C(C)(C)C)ccn2)c2cc(Oc3cc(-n4c(=[Pt])n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)cc(C(C)(C)C)c3)ccc21.
What is the InChIKey of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The InChIKey is AUNOXTMYRLTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N4O.Pt/c1-37-28-30-56(51-33-40(27-29-55-51)53(2,3)4)50-35-43(25-26-45(37)50)59-44-32-41(54(5,6)7)31-42(34-44)57-36-58(49-24-15-14-23-48(49)57)52-46(38-17-10-8-11-18-38)21-16-22-47(52)39-19-12-9-13-20-39;/h8-27,29,31-35,37H,28,30H2,1-7H3;.
What are the key properties of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 968.12 g/mol, XLogP of 14.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).